CID 2825434

Oprea1_487501

Structural Information

Molecular Formula
C16H18N4O4
SMILES
COC1=C(C=C(C(=C1)[N+](=O)[O-])NC2=CC=CC=N2)N3CCOCC3
InChI
InChI=1S/C16H18N4O4/c1-23-15-11-13(20(21)22)12(18-16-4-2-3-5-17-16)10-14(15)19-6-8-24-9-7-19/h2-5,10-11H,6-9H2,1H3,(H,17,18)
InChIKey
YJAPDJWGXUSQPF-UHFFFAOYSA-N
Compound name
N-(4-methoxy-5-morpholin-4-yl-2-nitrophenyl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

330.1328 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.140076 174.6
[M+Na]+ 353.122018 178.1
[M-H]- 329.125524 181.7
[M+NH4]+ 348.166623 182.2
[M+K]+ 369.095958 171.6
[M+H-H2O]+ 313.130060 167.7
[M+HCOO]- 375.131001 193.9
[M+CH3COO]- 389.146651 204.8
[M+Na-2H]- 351.107466 182.1
[M]+ 330.13225142 170.8
[M]- 330.13334858 170.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.